SCHEMBL6345188

SCHEMBL6345188

CC(C)(C)OC(=O)NOC(=O)C(O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.51
CTSS P25774 3/20 0.51
IDO1 P14902 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
SYK P43405 1/20 0.44
ATM Q13315 1/20 0.43
KLK5 Q9Y337 2/20 0.42
AKT1 P31749 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3425339 0.86 ATM (0.51) CTSKCTSSIDO1CA12CA1
Water SCHEMBL27509393 0.85 CTSS (0.51) CTSKCTSSIDO1CA12CA1
SCHEMBL487448 0.84 CTSK (0.49) CTSKCTSS
SCHEMBL487446 0.84 CTSK (0.49) CTSKCTSS
SCHEMBL28205495 0.80 ATM (0.52) CTSKCTSSIDO1CA12CA1
SCHEMBL29077117 0.78 ATM (0.51) CTSKCTSSIDO1CA12CA1
SCHEMBL22042132 0.78 CTSK (0.62) CTSKCTSSCA12CA1CA7
SCHEMBL28108976 0.78 CTSK (0.62) CTSKCTSSCA12CA1CA7
SCHEMBL3786555 0.78 TDP1 (0.50) CTSKCTSSIDO1CA12CA1
SCHEMBL27730329 0.78 CTSK (0.62) CTSKCTSSCA12CA1CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960575-B2 For use as inhibitors of chymase SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-6713472-B1 2-OXO-1,2,3,4-TETRAHYDROPYRAZINE DERIVATIVES; CHYMASE INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-03-30 US disclosed